PC-Compounds ::= {
  {
    id {
      id cid 5771742
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        20,
        21,
        22,
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        25,
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        28,
        29,
        30,
        31,
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        33,
        34,
        35,
        36,
        37,
        38,
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        40,
        41,
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        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57
      },
      element {
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
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        h,
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        h,
        h,
        h,
        h,
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        h,
        h,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        13,
        14,
        15,
        16,
        16,
        17,
        17,
        17,
        18,
        19,
        19,
        19,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24
      },
      aid2 {
        10,
        54,
        14,
        18,
        25,
        57,
        25,
        7,
        8,
        14,
        26,
        12,
        18,
        27,
        16,
        28,
        29,
        10,
        11,
        30,
        31,
        15,
        32,
        13,
        33,
        34,
        15,
        35,
        17,
        36,
        37,
        19,
        38,
        20,
        39,
        22,
        40,
        41,
        42,
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        44,
        45,
        21,
        46,
        23,
        47,
        48,
        49,
        50,
        51,
        24,
        52,
        53,
        25,
        55,
        56
      },
      order {
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 8,
        bottom 14,
        below 26,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 12,
        bottom 18,
        below 27,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 1,
        top 9,
        bottom 15,
        below 32,
        parity clockwise,
        type tetrahedral
      },
      planar {
        left 12,
        ltop 7,
        lbottom 35,
        right 15,
        rtop 38,
        rbottom 10,
        parity opposite,
        type planar
      },
      planar {
        left 16,
        ltop 8,
        lbottom 39,
        right 20,
        rtop 21,
        rbottom 46,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          35,
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          40,
          41,
          42,
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          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57
        },
        conformers {
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            data {
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        data {
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          {
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    props {
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          "3 4 5 25 anion",
          "4 20 21 23 24 hydrophobe",
          "4 9 11 13 17 hydrophobe",
          "5 6 7 8 12 16 hydrophobe"
        }
      }
    },
    count {
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      atom-chiral 3,
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      atom-chiral-undef 0,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}